SCHEMBL8925291

SCHEMBL8925291

O=C(O)CCNc1[c]cccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SHMT2 P34897 1/20 0.38
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
NSD2 O96028 1/20 0.36
BLM P54132 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
KDM6B O15054 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2021551 0.83 EGLN2 (0.38) KMT2AKDM4ESHMT2POLBMEN1
SCHEMBL2066722 0.79 KDM4E (0.36) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL17234481 0.74 ALDH1A1 (0.60) ALDH1A1KMT2AHSD17B10HPGDKDM4E
SCHEMBL8922325 0.71 CYP2C19 (0.51) KMT2APOLBMEN1
SCHEMBL1747638 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1385358 0.71
SCHEMBL8924497 0.70 ALDH1A1 (0.41) ALDH1A1HSD17B10SHMT2
SCHEMBL2648906 0.69 FABP1 (0.53) ALDH1A1KMT2AHPGDKDM4EMEN1
SCHEMBL243759 0.69 ITGB3 (0.63) ALDH1A1KMT2AHSD17B10HPGDMEN1
SCHEMBL6647364 0.68 MEN1 (0.44) ALDH1A1KMT2AHSD17B10HPGDKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed